4-[4-[2-(3-cyanophenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxylic acid

Systemtic Name: 4-[4-[2-(3-cyanophenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxylic acid Openeye Name: 4-[4-[2-(3-cyanophenoxy)ethoxy]phenyl]sulfonyltetrahydropyran-4-carboxylic acid CAS Name: 4-[4-[2-(3-cyanophenoxy)ethoxy]phenyl]sulfonyl-4-oxanecarboxylic acid IUPAC Name: 4-[4-[2-(3-cyanophenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxylic acid Traditional Name: 4-[4-[2-(3-cyanophenoxy)ethoxy]phenyl]sulfonyltetrahydropyran-4-carboxylic acid Formula: C21H21NO7S MolecularWeight: 431.45894

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCOC3=CC=CC(=C3)C#N

Isomeric SMILES

C1COCCC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCOC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H21NO7S/c22-15-16-2-1-3-18(14-16)29-13-12-28-17-4-6-19(7-5-17)30(25,26)21(20(23)24)8-10-27-11-9-21/h1-7,14H,8-13H2,(H,23,24)